SCHEMBL12013299

SCHEMBL12013299

FC(F)(F)C(OCC(COCCOCCOCCOCCOCc1ccccc1)(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
LTA4H P09960 1/20 0.33
CA1 P00915 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12013273 0.91 TSHR (0.47) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL15136628 0.87 CES1 (0.34) TSHRNAAATDP1L3MBTL1
SCHEMBL15146256 0.87 CES1 (0.34) TSHRNAAATDP1L3MBTL1
SCHEMBL15146261 0.85 CES1 (0.35) TSHRNAAAKDM4EPOLBPTPN2
SCHEMBL12013334 0.83 TSHR (0.42) TSHRKDM4EPOLBCA1ALDH1A1
SCHEMBL12013282 0.82 SMN1; SMN2 (0.44) TSHRNAAAKDM4EHTTSMN1; SMN2
SCHEMBL23227891 0.79 TSHR (0.52) TSHRNAAAKDM4EPOLBPTPN2
SCHEMBL5349731 0.79 TSHR (0.52) TSHRNAAAKDM4EPOLBPTPN2
SCHEMBL4860052 0.79 TSHR (0.52) TSHRNAAAKDM4EPOLBPTPN2
SCHEMBL30124398 0.78 TSHR (0.44) TSHRNAAAKDM4EPOLBPTPN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252778-B2 Highly fluorinated oils and surfactants and methods of making and using same UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-08-28 US disclosed
US-20090264397-A1 HIGHLY FLUORINATED OILS AND SURFACTANTS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264397-A1 HIGHLY FLUORINATED OILS AND SURFACTANTS AND METHODS OF MAKING AND USING SAME FLOT1, ABCB4, SGMS1 TSHR 3279/4885NAAA 741/4885KDM4E 4290/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.